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Reactions Similar in Bond Changes to M0096

Please note, this page may take a while to load. This displays the reactions with similar (as calculated by a Tanimoto similarity) to the reaction M0096 at the level of the bond changes defined. The fingerprint from which the Tanimoto similarity score is calculated is continuous (i.e. it takes into account the number of different bond changes as well as the identity of the bond changes).


Reactive Centre (Manual (Composite) Annotation) of Target Reaction

Bonds Formed Bonds Cleaved Bonds Changed in Order Atom Types Involved
C-O
N-H
N-H
N-H
O-H
C-N
N-H
N-H
O-H
O-H
The C-O bond changes from a single to double bond
The C-N bond changes from a double to single bond
C
H
N
O

Key

1.0-0.9 0.9-0.8 0.8-0.7 0.7-0.6 0.6-0.5 0.5-0.4 0.4-0.3 0.3-0.2 0.2-0.1 0.1-0.0 =0

Results

Reactions identical to M0096

There are 0 identical reactions with respect to the bond changes.

Reactions similar to M0096

There are 18 similar (Tanimoto Score ≥ 0.65) reactions.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0017
2.4.2.1
0.440.52380.56250.5255Compare
M0091
2.4.2.2
0.440.57890.13470.4544Compare
M0041
3.1.21.1
0.20.54540.47550.4933Compare
M0039
3.2.2.1
0.50.440.14780.3729Compare
M0169
3.4.14.5
0.50.61290.08180.4688Compare
M0170
3.4.15.1
0.630.40740.450.4409Compare
M0005
3.4.16.6
0.50.61290.11950.4782Compare
M0173
3.4.21.4
0.50.76920.07490.5687Compare
M0238
3.4.21.97
0.50.76920.11990.5799Compare
M0176
3.4.24.27
0.630.65210.4750.6062Compare
M0177
3.4.25.1
0.50.76920.01540.5538Compare
M0240
3.5.1.-
0.470.4090.08170.3333Compare
M0087
3.5.1.5
0.750.78260.14990.6211Compare
M0266
3.5.1.26
0.50.76920.01960.5548Compare
M0097
3.5.4.5
0.90.35290.450.4318Compare
M0180
3.7.1.2
0.20.72720.57080.6353Compare
M0080
4.3.2.2
0.20.47360.59990.4778Compare
M0026
4.6.1.13
0.20.54540.14990.4119Compare

OVERVIEW OF ALL RESULTS

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